SCHEMBL6812783

SCHEMBL6812783

OC(O)(O)C(O)(O)O.OC(O)(O)C(O)(O)O.c1ccc(C[Sn]Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.42
CALM1 P0DP23 1/20 0.39
FDPS P14324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.37
CES1 P23141 2/20 0.37
THRB P10828 1/20 0.37
CES2 O00748 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL383933 0.87 CALM1 (0.50) TSHRCALM1TDP1IDO1THRB
Hydrochloric Acid SCHEMBL2464987 0.84 CALM1 (0.47) TSHRCALM1TDP1IDO1THRB
Fluoride SCHEMBL5897348 0.84 CALM1 (0.47) TSHRCALM1TDP1IDO1THRB
Bromide SCHEMBL5897404 0.84 CALM1 (0.47) TSHRCALM1TDP1IDO1THRB
Iodide SCHEMBL5898071 0.84 CALM1 (0.47) TSHRCALM1TDP1IDO1THRB
Hydrochloric Acid SCHEMBL28371010 0.84 CALM1 (0.47) TSHRCALM1TDP1IDO1THRB
Boric Acid SCHEMBL10623554 0.82 CA1 (0.46) TSHRCALM1TDP1IDO1CES1
Acetic Acid SCHEMBL11563853 0.78 ALDH1A1 (0.50) CYP1A2TSHRTDP1CES1CES2
Fumaric Acid SCHEMBL385036 0.75 ALDH1A1 (0.53) CYP2C19CES1CES2AKR1B1ALDH1A1
Adipic Acid SCHEMBL673649 0.73 MAPT (0.62) CYP2C19TSHRAKR1B1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847417-B1 COMPOSITIONS CONTAINING 1,3,5-TRIAZINE CARBAMATES AND EPOXY COMPOUNDS CYTEC TECH CORP (US) 2004-11-24 EP disclosed
EP-0792316-B1 WATERBORNE COMPOSITIONS CONTAINING 1,3,5-TRIAZINE CARBAMATES CYTEC TECH CORP (US) 2004-06-16 EP disclosed
EP-0963388-B1 LOW VOC, ISOCYANATE BASED AQUEOUS CURABLE COMPOSITIONS CYTEC TECH CORP (US) 2002-05-02 EP disclosed
US-6316543-B1 Low VOC, isocyanate based aqueous curable compositions CYTEC TECHNOLOGY CORP. 2001-11-13 US disclosed
US-6313218-B1 MIXING UNBLOCKED ISOCYANATE CROSSLINKING AGENT WITH MIXTURE OF SURFACE ACTIVE ISOCYANATE REACTIVE MATERIAL COMPRISING STYRENE AND WATER TO FORM HOMOGENEOUS CURABLE WATER-IN-OIL EMULSION; MIXING WITH AQUEOUS MEDIUM TO FORM OIL-IN-WATER EMULSION CYTEC TECHNOLOGY CORP. 2001-11-06 US disclosed
US-20010003755-A1 High-temperature-gelation-resistant material, method for making same, and coatings and articles including same CYTEC TECHNOLOGY CORP. 2001-06-14 US disclosed
EP-1087949-A1 PROCESS FOR THE PREPARATION OF TRIAZINE CARBAMATES CYTEC TECHNOLOGY CORP. (US) 2001-04-04 EP disclosed
US-6207791-B1 ALKOXYMETHYLATED MELAMINE CYTEC TECHNOLOGIES CORP. 2001-03-27 US disclosed
US-6204381-B1 REACTING A 1,3,5-TRIAZINE DERIVATIVE WITH A (ISO)CYANATE COMPOUND CYTEC TECHNOLOGY CORP. 2001-03-20 US disclosed
WO-2001004172-A1 IMPROVED LOW VOC, ISOCYANATE BASED AQUEOUS TWO-COMPONENT COATING COMPOSITIONS CYTEC TECHNOLOGY CORP. (US) 2001-01-18 WO disclosed
US-5609916-A POLYURETHANE COPOLYMERS CYTEC TECHNOLOGY CORP. (US) 1997-03-11 US disclosed
WO-1997008235-A1 COMPOSITIONS CONTAINING 1,3,5-TRIAZINE CARBAMATES AND EPOXY COMPOUNDS CYTEC TECHNOLOGY CORP. (US) 1997-03-06 WO disclosed
US-5596047-A CROSSLINKER FOR ACRYLIC COATINGS, AUTOMOTIVE FINISHES CYTEC TECHNOLOGY CORP. (US) 1997-01-21 US disclosed
WO-1996041826-A1 LOW FORMALDEHYDE EMITTING CROSS-LINKING AGENTS CYTEC TECHNOLOGY CORP. (US) 1996-12-27 WO disclosed
US-5496944-A CONTACTING TRIS-HALOBUTYRYL MELAMINE WITH BASE TO EFFECT INTRAMOLECULAR CYCLIZATION CYTEC TECHNOLOGY CORP. (US) 1996-03-05 US disclosed
US-5466745-A Nonaqueous crosslinkes polyurethanes and oil in water emulsion CYTEC TECHNOLOGY CORPORATION (US) 1995-11-14 US disclosed
EP-0663413-A2 Curable oil-in-water emulsions, methods of preparing the same and uses thereof CYTEC TECHNOLOGY CORP. (US) 1995-07-19 EP disclosed
EP-0570563-A4 1994-08-31 EP disclosed
EP-0570563-A1 A PROCESS FOR PREPARING A TRIAZINE TRIS-LACTAM CROSSLINKING AGENT AND CURABLE COMPOSITIONS CONTAINING THE SAME CYTEC TECHNOLOGY CORP. (US) 1993-11-24 EP disclosed
WO-1993010117-A1 A PROCESS FOR PREPARING A TRIAZINE TRIS-LACTAM CROSSLINKING AGENT AND CURABLE COMPOSITIONS CONTAINING THE SAME AMERICAN CYANAMID COMPANY (US) 1993-05-27 WO disclosed